Pentafluoroiodoethane

Base Information

• Chemical Name: Pentafluoroiodoethane
• CAS No.: 354-64-3
• Deprecated CAS: 263005-67-0
• Molecular Formula: C2F5I
• Molecular Weight: 245.919
• Hs Code.: 2903799090
• European Community (EC) Number: 206-566-7
• UNII: 0E13B713QU
• DSSTox Substance ID: DTXSID8040149
• Nikkaji Number: J193.832K
• Wikipedia: Pentafluoroethyl_iodide
• Wikidata: Q7164954
• Mol file: 354-64-3.mol

Synonyms:Pentafluoroiodoethane;354-64-3;Pentafluoroethyl iodide;IODOPENTAFLUOROETHANE;Pentafluoroethyliodide;Perfluoroethyl iodide;1,1,1,2,2-Pentafluoro-2-iodoethane;Ethane, pentafluoroiodo-;C2F5I;Iodoperfluoroethane;Ethane, 1,1,1,2,2-pentafluoro-2-iodo-;EINECS 206-566-7;1,1,1,2,2-pentafluoro-2-iodo-ethane;UNII-0E13B713QU;0E13B713QU;1,1,2,2,2-pentafluoroethyl iodide;EC 206-566-7;Perfluoroiodoethane;Perfluorethyliodide;MFCD00039400;1-iodoperfluoroethane;Ethane, iodopentafluoro-;CF3CF2I;Pentafluoroiodoethane, 97%;Pentafluoroethyl iodide 98%;SCHEMBL52259;HCFC-125;PENTAFLUORO-1-IODOETHANE;DTXSID8040149;AMY6836;C2-F5-I;1,1,2,2,2-pentafluoroethyliodide;AKOS005063735;1-iodo-1,1,2,2,2-pentafluoroethane;AS-57599;IODOPENTAFLUOROETHANE (HCFC 125);LS-65582;1,1,1,2,2-Pentafluoro-2-iodoethane #;FT-0676406;Pentafluoroiodoethane, purum, >=97.0% (GC);A822829;Q7164954

Chemical Property of Pentafluoroiodoethane

Chemical Property:

• Appearance/Colour: colourless liquid or gas
• Vapor Pressure: 738.9 mm Hg ( 10 °C)
• Melting Point: -92ºC
• Refractive Index: n20/D 1.339(lit.)
• Boiling Point: 10.3 °C at 760 mmHg
• Flash Point: None
• PSA: 0.00000
• Density: 2.283 g/cm³
• LogP: 2.57650
• Storage Temp.: 0-6°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 245.89649
• Heavy Atom Count: 8
• Complexity: 82.9

Purity/Quality:

99% min ^*data from raw suppliers

1,1,1,2,2-Pentafluoro-2-iodo-ethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T; Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-44
• Safety Statements: 7-26-37/39-38

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(C(F)(F)I)(F)(F)F
• Uses: 1,1,1,2,2-Pentafluoro-2-iodo-ethane is a useful building block for organic synthesis.

Technology Process of Pentafluoroiodoethane

There total 36 articles about Pentafluoroiodoethane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

perfluoropropanoyl fluoride (422-61-7) → Pentafluoroethyl iodide (354-64-3)

Guidance literature:

With lithium iodide; at 180 ℃; for 7h;

Reference yield: 86.0%

dichlorobis(triphenylphospine)palladium [(Ph3P)2PdCl2] + 2-(n-perfluorooctyl)ethyl iodide (2043-53-0,71215-70-8) → Pentafluoroethyl iodide (354-64-3) + Ethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate (40599-19-7)

Guidance literature:

With carbon monoxide; triethylamine;

Reference yield: 78.0%

C2F15IO2Te2 (105062-52-0) → Pentafluoroethyl iodide (354-64-3) + C2F10OTe (91600-25-8)

Guidance literature:

at 115 ℃; for 21h;

DOI:10.1016/S0022-1139(00)80449-2

upstream raw materials:

polytetrafluoroethylene

1,2-diiodotetrafluoroethane

tetraiodoethene

perfluoropropanoyl fluoride

Downstream raw materials:

cyanogen iodide

perfluorobutane

1-iodoheptadecafluorooctane

1-iodoperfluorododecane

Refernces

Fulvestrant: From the laboratory to commercial-scale manufacture

10.1021/op900315j

The study focuses on the development of a commercial manufacturing process for fulvestrant, the active ingredient in 'Faslodex', an estrogen-receptor downregulator used for treating advanced breast cancer. Key steps in the synthesis include a stereoselective 1,6-addition of an organocuprate to a steroidal dienone and copper-mediated aromatisation of the A-ring. The process involves managing noncrystalline intermediates and controlling the formation of key impurities to ensure drug substance quality. Chemicals used include fulvestrant, organocuprate, steroidal dienone, copper reagents, and various starting materials and solvents such as 19Nortestosterone, 1,1,9-nonanediol, pentafluoropentanol, and pentafluoroethyl iodide. These chemicals serve as starting materials, reagents, or intermediates in the synthesis of fulvestrant, with the aim of optimizing the production process for efficiency, cost-effectiveness, and quality control.

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